(1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C17H24N4O2 — CID 110199261

IUPAC(1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESO=C1NCCCCCCN(C(=O)c2cnccn2)[C@H]2CCC[C@@H]12
InChIInChI=1S/C17H24N4O2/c22-16-13-6-5-7-15(13)21(11-4-2-1-3-8-20-16)17(23)14-12-18-9-10-19-14/h9-10,12-13,15H,1-8,11H2,(H,20,22)/t13-,15+/m1/s1
InChIKeyQEXOFXMJWAKLDP-HIFRSBDPSA-N
MW316.40 g/mol
LogP1.78
Rot. Bonds1

About (1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one

(1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110199261) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110199261
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name(1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESO=C1NCCCCCCN(C(=O)c2cnccn2)[C@H]2CCC[C@@H]12
InChIInChI=1S/C17H24N4O2/c22-16-13-6-5-7-15(13)21(11-4-2-1-3-8-20-16)17(23)14-12-18-9-10-19-14/h9-10,12-13,15H,1-8,11H2,(H,20,22)/t13-,15+/m1/s1
InChIKeyQEXOFXMJWAKLDP-HIFRSBDPSA-N
XLogP1.78
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazine-2-carboxylic acid [1-(1-ethylaminooxalyl-propylcarbamoyl)-3-methyl-butyl]-amide
CID 44353510
pyrazinoyl-Leu-Ile-Gly-Arg-Leu-Ile-NH2
CID 44433914
(1S,3S,5S)-2-[(2S)-2-amino-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 71566968
[(1R)-3-methyl-1-[[(2R)-3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]butyl]boronic acid
CID 74767136
[(1R)-3-methyl-1-[[(2R)-2-(pyrazine-2-carbonylamino)pentanoyl]amino]butyl]boronic acid
CID 164611518
Lonp1-IN-2
CID 164611915
[(1R)-3-methyl-1-[[(2R)-2-(pyrazine-2-carbonylamino)butanoyl]amino]butyl]boronic acid
CID 164612283
[(1R)-1-[[(2R)-3-cyclohexyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]-3-methylbutyl]boronic acid
CID 164615471
[(1R)-2-cyclohexyl-1-[[(2R)-2-(pyrazine-2-carbonylamino)pentanoyl]amino]ethyl]boronic acid
CID 164623153
[(1R)-1-[[(2R)-2-(pyrazine-2-carbonylamino)pentanoyl]amino]pentyl]boronic acid
CID 164629151
(3S,3aS,6aR)-N-[1-[[(2S)-butan-2-yl]amino]-1,2-dioxohexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 44319834
[(1S)-3-methyl-1-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(pyrazine-2-carbonylamino)pentanoyl]amino]pentanoyl]amino]butyl]boronic acid
CID 46227313

Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110199261) is (1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one is O=C1NCCCCCCN(C(=O)c2cnccn2)[C@H]2CCC[C@@H]12.
What is the InChIKey of (1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is QEXOFXMJWAKLDP-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16-13-6-5-7-15(13)21(11-4-2-1-3-8-20-16)17(23)14-12-18-9-10-19-14/h9-10,12-13,15H,1-8,11H2,(H,20,22)/t13-,15+/m1/s1.
What are the key properties of (1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 316.40 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110199261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).